SCHEMBL20145008

SCHEMBL20145008

Cc1ccnc(C(=O)N2CCCC(Nc3ccc(C(F)(F)F)cn3)C2)c1-c1ncccn1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.53
HCRTR2 O43614 10/20 0.53
MAP3K12 Q12852 1/20 0.48
PROKR1 Q8TCW9 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20145009 0.87 GFER (0.49) HCRTR1HCRTR2PROKR1
SCHEMBL20144954 0.86 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL18697754 0.84 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144723 0.84 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144789 0.84 HCRTR1 (0.70) HCRTR1HCRTR2MAP3K12
SCHEMBL18697684 0.84 HCRTR1 (0.70) HCRTR1HCRTR2MAP3K12
SCHEMBL20144989 0.82 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL16148604 0.82 HCRTR1 (0.77) HCRTR1HCRTR2
SCHEMBL20144799 0.82 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL18697644 0.82 HCRTR1 (0.68) HCRTR1HCRTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970207-B1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-16 EP disclosed